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Methyl 3-(tert-butoxycarbonylamino)propanoate, also known as BOC-Me-D-Ala-OH, is a chemical compound that belongs to the family of organic compounds known as alpha amino acid esters. It is characterized by its steric bulky and inert nature, which provides high stability under acidic and basic conditions. Methyl 3-(tert-butoxycarbonylaMino)propanoate is often used in the process of organic synthesis and is particularly valuable in the pharmaceutical industry.

42116-55-2

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42116-55-2 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-(tert-butoxycarbonylamino)propanoate is used as a protective agent for amines in peptide synthesis. Its application is crucial for improving the stability, solubility, and efficacy of drugs, making it an essential component in the development and production of various medications.
Used in Organic Synthesis:
In the field of organic synthesis, Methyl 3-(tert-butoxycarbonylamino)propanoate is employed as a key intermediate compound. Its reactivity and stability contribute to the synthesis of complex organic molecules, which can be further utilized in the creation of pharmaceuticals, agrochemicals, and other specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 42116-55-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,1,1 and 6 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 42116-55:
(7*4)+(6*2)+(5*1)+(4*1)+(3*6)+(2*5)+(1*5)=82
82 % 10 = 2
So 42116-55-2 is a valid CAS Registry Number.

42116-55-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:42116-55-2 SDS

42116-55-2Relevant academic research and scientific papers

Cryptophycin-55/52 based antibody-drug conjugates: Synthesis, efficacy, and mode of action studies

Chen, Hao,Fu, Yuyin,Gou, Lantu,Guo, Cuiyu,Jiang, Xiaohua,Kang, Tairan,Lai, Qinhuai,Lai, Weirong,Liao, Wei,Lu, Ying,Peng, Yujia,Tao, Yiran,Wang, Ruixue,Wang, Xin,Wang, Yuxi,Wu, Mengdan,Yang, Jinliang,Yao, Yuqin,Yu, Lin,Zhang, Ruirui,Zhang, Yiwen,Zhang, Zhixiong

, (2020/05/11)

Cryptophycin-52 (CR52), a tubulin inhibitor, exhibits promising antitumor activity in vitro (picomolar level) and in mouse xenograft models. However, the narrow therapeutic window in clinical trials limits its further development. Antibody-drug conjugate (ADC), formed by coupling cytotoxic compound (payload) to an antibody via a linker, can deliver drug to tumor locations in a targeted manner by antibody, enhancing the therapeutic effects and reducing toxic and side effects. In this study, we aim to explore the possibility of CR52-based ADC for tumor targeted therapy. Due to the lack of a coupling site in CR52, its prodrug cryptophycin-55 (CR55) containing a free hydroxyl was synthesized and conjugated to the model antibody trastuzumab (anti-HER2 antibody drug approved by FDA for breast cancer therapy) via the linkers based on Mc-NHS and Mc-Val-Cit-PAB-PNP. The average drug-to-antibody ratios (DARs) of trastuzumab-CR55 conjugates (named T-L1-CR55, T-L2-CR55, and T-L3-CR55) were 3.50, 3.29, and 3.35, respectively. These conjugates exhibited potent cytotoxicity in HER2-positive tumor cell lines with IC50 values at low nanomolar levels (0.58–1.19 nM). Further, they displayed significant antitumor activities at the doses of 10 mg/kg in established ovarian cancer (SKOV3) and gastric cancer (NCI–N87) xenograft models without overt toxicities. Finally, the drug releases were analyzed and the results indicated that T-L3-CR55 was able to effectively release CR55 and further epoxidized to CR52, which may be responsible for its best performance in antitumor activities. In conclusion, our results demonstrated that these conjugates have the potential for tumor targeted therapy, which provides insights to further research the CR55/CR52-based ADC for tumor therapy.

Tert-Butyl(3-cyano-4,6-dimethylpyridin-2-yl)carbonate as a green and chemoselective N-tert-butoxycarbonylation reagent

Du, Fangyu,Zhou, Qifan,Fu, Yang,Zhao, Hanqi,Chen, Yuanguang,Chen, Guoliang

, p. 6549 - 6554 (2019/05/04)

The use of tert-butyl(3-cyano-4,6-dimethylpyridin-2-yl)carbonate as a chemoselective tert-butoxycarbonylation reagent for aromatic and aliphatic amines has been demonstrated. To gain insight into this reaction, in situ React IR technology was used to confirm the effectivity and chemoselectivity of this novel Boc reagent. The reaction was carried out chemoselectively in high yield under mild, environment-friendly conditions and was completed quickly within 1 hour. Simultaneously, the Boc carrier was easily recyclable, and has great application prospects for industrial production.

COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT

-

Page/Page column 57; 58; 64, (2019/12/25)

The present invention features novel peripherally-restricted non-benzodiazipene analogs with reduced blood brain barrier permeability and methods of use thereof for reducing tactile dysfunction, social impairment, and anxiety in a subject diagnosed with A

QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF

-

Paragraph 00395, (2016/08/17)

This invention provides compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein T, J, R, R4, Rq, o, RA, W and RB and subsets thereof are as described in the specification. The compounds are inhibitors of NAMPT and are thus useful for treating cancer, inflammatory conditions, and/or T-cell mediated autoimmune disease.

Solventless mechanosynthesis of N-protected amino esters

Konnert, Laure,Lamaty, Frederic,Martinez, Jean,Colacino, Evelina

, p. 4008 - 4017 (2014/05/20)

Mechanochemical derivatizations of N- or C-protected amino acids were performed in a ball mill under solvent-free conditions. A vibrational ball mill was used for the preparation of N-protected α- and β-amino esters starting from the corresponding N-unmasked precursors via a carbamoylation reaction in the presence of di-tert-butyl dicarbonate (Boc2O), benzyl chloroformate (Z-Cl) or 9-fluorenylmethoxycarbonyl chloroformate (Fmoc-Cl). A planetary ball mill proved to be more suitable for the synthesis of amino esters from N-protected amino acids via a one-pot activation/esterification reaction in the presence of various dialkyl dicarbonates or chloroformates. The spot-to-spot reactions were straightforward, leading to the final products in reduced reaction times with improved yields and simplified work-up procedures.

Synthesis of macrocycles containing 1,3,4-oxadiazole and pyridine moieties

Poojari, Subba,Naik, Parameshwar,Krishnamurthy

, p. 305 - 309 (2014/01/06)

A series of peptide-like 25-28 membered macrocycles containing 1,3,4-oxadiazoles and pyridines bearing a chiral center scaffold have been synthesized by using known coupling reagents and common protecting groups. The yield of the purified macrocycles was poor on an average, yet it seems to be independent of amino acid substitution or stereochemistry. These macrocycles represent a new class of structures for further development and for future application in high-throughput screening against a variety of biological targets.

Dibutylphosphate (DBP) mediated synthesis of cyclic N,N′- disubstituted urea derivatives from amino esters: A comparative study

Agrawal, Sumit K.,Sathe, Manisha,Kaushik, M. P.,Halve, A. K.

supporting information, p. 5996 - 5999,4 (2020/08/20)

The N,N′-disubstituted urea derivatives such as amino acid hydantoins and dihydrouracil derivatives were prepared starting from natural and unnatural amino acid esters using dibutylphosphate (DBP). During the attempted synthesis of N-heterocycles with larger than six-membered rings containing the N,N′-disubstituted urea functionalities, three unexpected products namely squamolone, N-methyl pyrrolidine-2-one, and diketopiperazine were isolated.

Kinetic deconjugation: A gateway to the synthesis of Xxx-Gly (E)-alkene dipeptide isosteres

Proteau-Gagné, Arnaud,Nadon, Jean-Franois,Bernard, Sylvain,Guérin, Brigitte,Gendron, Louis,Dory, Yves L.

supporting information; experimental part, p. 6603 - 6605 (2012/02/03)

A new method for the preparation of Xxx-Gly (E)-alkene dipeptide isosteres (EADIs), using LDA deprotonation followed by 1 N HCl quench, was explored. The method, named kinetic deconjugation, enabled the synthesis of Tyr-Gly, Gly-Gly, Ser-Gly, Pro-Gly, and

Ruthenium tetroxide oxidation of cyclic N-acylamines by a single layer method: formation of ω-amino acids

Kaname, Mamoru,Yoshifuji, Shigeyuki,Sashida, Haruki

, p. 2786 - 2788 (2008/09/19)

The ruthenium tetroxide oxidation of cyclic N-acyl amines by a 10% NaIO4 aqueous solution containing tert-butanol as a single layer system resulted in the endo-cyclic C-N bond cleavage to afford the ω-amino acids as almost sole products in good yields, while a similar oxidation under the double layer using a NaIO4 aqueous solution, and ethyl acetate gave the N-acyl lactams.

Homoallylic ketones and pyrroles by way of copper-catalyzed cascade additions of alkylsubstituted vinyl Grignard reagents to esters

Doerr, Aurelie A.,Lubell, William D.

, p. 1006 - 1017 (2008/03/28)

Exploring the scope of the copper-catalyzed cascade addition of vinyl Grignard reagents to carboxylic esters, a set of substituted homoallylic ketones (γ.δ-unsaturated ketones) have been synthesized in 11%-94% yields from treatment of methyl 4-methoxybenz

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